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98 records · Page 6Linked to original sources
USGS2007

In situ quantitative analysis of individual H2O-CO2 fluid inclusions by laser Raman spectroscopy

Raman spectral parameters for the Raman ??1 (1285??cm- 1) and 2??2 (1388??cm- 1) bands for CO2 and for the O-H stretching vibration band of H2O (3600??cm- 1) were determined in H2O-CO2 fluid inclusions. Synthetic fluid inclusions containing 2.5 to 50??mol% CO2 were analyzed at temperatures equal to or greater than the homogenization temperature. The results were used to develop an empirical relationship between composition and Raman spectral parameters. The linear peak intensity ratio (IR = ICO2/(ICO2 + IH2O)) is related to the CO2 concentration in the inclusion according to the relation:Mole % C O2 = e- 3.959 IR2 + 8.0734 IRwhere ICO2 is the intensity of the 1388 cm- 1 peak and IH2O is the intensity of the 3600 cm- 1 peak. The relationship between linear peak intensity and composition was established at 350????C for compositions ranging from 2.5 to 50??mol% CO2. The CO2-H2O linear peak intensity ratio (IR) varies with temperature and the relationship between composition and IR is strictly valid only if the inclusions are analyzed at 350????C. The peak area ratio is defined as AR = ACO2/(ACO2 + AH2O), where ACO2 is the integrated area under the 1388??cm- 1 peak and AH2O is the integrated area under the 3600??cm- 1 peak. The relationship between peak area ratio (AR) and the CO2 concentration in the inclusions is given as:Mole % C O2 = 312.5 AR. The equation relating peak area ratio and composition is valid up to 25??mol% CO2 and from 300 to 450????C. The relationship between linear peak intensity ratio and composition should be used for inclusions containing ??? 50??mol% CO2 and which can be analyzed at 350????C. The relationship between composition and peak area ratios should be used when analyzing inclusions at temperatures less than or greater than 350????C (300-450) but can only be used for compositions ??? 25??mol% CO2. Note that this latter relationship has a somewhat larger standard deviation compared to the intensity ratio relationship. Calibration relationships employing peak areas for both members of the Fermi diad (??1 at 1285??cm- 1 and 2??2 at 1388??cm- 1) were slightly poorer than those using only the 2??2 (1388??cm- 1) member owing to interference from quartz peak at approximately 1160??cm- 1. The technique has been applied to natural low-salinity H2O-CO2 inclusions from the Butte, Montana, porphyry copper-molybdenum deposit. Carbon dioxide concentrations obtained range from below detection to 4.2??mol% CO2, and are in good agreement with concentrations determined previously based on microthermometric and petrographic observations. ?? 2007 Elsevier B.V. All rights reserved.

Chemical Geology↗
USGS2017

Analysis of artificially matured shales with confocal laser scanning raman microscopy: Applications to organic matter characterization

Raman spectroscopy has been suggested as a method for characterizing the thermal maturity of rocks. The literature contains many empirical correlations between thermal maturity proxies, such as vitrinite reflectance (V Ro ) and pyrolysis-T max , with spectral metrics such as Raman peak-widths, peak-center positions, peak-areas and all manner of differences and ratios of these parameters. However, while these correlations may be convincing for small data sets from limited sample series, broader application of these metrics to disparate and heterogeneous samples proves difficult and there remains no consensus. In this extended abstract, Raman spectroscopy is introduced and the history of Raman analysis of carbonaceous material is briefly outlined, highlighting some of the latent difficulties and potential sources of bias. We suggest the organization of a community working group to establish terminology, guidelines, procedures and standards necessary for the successful development of this technique to characterize organic matter in an accessible, unbiased, and reproducible manner. For the present multi-phase study, immature shale samples from the Bakken and Duvernay formations were subjected to hydrous pyrolysis for 72 hours at temperatures from 280°C to 360°C. Rock residues were mounted and polished for analysis via confocal laser-scanning Raman microscopy and reflectance. The maturation series from the Bakken was randomized for the Phase-I single-blind study to be presented at this conference. For the Phase-II study, solid bitumen reflectance (B Ro ) values for the Duvernay series will be known. Multiple hyperspectral maps were collected from each Bakken sample, with each map consisting of a single diffraction-limited spot-size spectrum per 1 µm 2 in rectangular areas several hundred micrometers on a side. Initial attempts at using basic spectral metrics on small numbers of hand-selected spectra to sort the blind series produced inconclusive results: any number of possible correlations could be found. In an improved approach, the statistics of the full spectral datasets were leveraged to: 1) objectively identify organic carbon types (OCTs) in a given map based on Raman and fluorescence spectral characteristics, 2) identify those OCTs in other maps from the same sample and determine if the heterogeneity of the sample has been adequately characterized, and 3) identify the same OCTs in maps from other samples in the maturation series. In ongoing work, our goals are to: 1) use these analyses of the blind series to develop a hypothesis for a correlation to maturation, 2) test the hypothesis by applying the same analyses to the known Duvernay series (in Phase-II), 3) if necessary refine the hypothesis based on observations from the Duvernay analysis, and 4) finally reveal the true order of the Bakken series to verify if the hypothesized correlation accurately predicts the maturity order of the samples. In this document, we share progress to date. The analysis of one area of interest is detailed showing the differentiation of two OCTs based on Raman and fluorescence spectral features, including the use of 2-factor histograms, Principle Components Analysis (PCA), and Nonlinear Iterative Peak Fitting (NIPF).

Conference Paper↗
USGS2021

Biodiversity effects on grape quality depend on variety and management intensity

Interactions between plants can be beneficial, detrimental or neutral. In agricultural systems, competition between crop and spontaneous vegetation is a major concern. We evaluated the relative support for three non-exclusive ecological hypotheses about interactions between crop and spontaneous plants based on competition, complementarity or facilitation. The study was conducted in Swiss vineyards with different vegetation management intensities. In all, 33 vineyards planted with two different grape varieties were studied over 3 years to determine whether low-intensity vegetation management might provide benefits for grape quality parameters. Management intensity varied with the degree of control of spontaneous inter-row vegetation. Features of spontaneous vegetation measured included total cover, total species richness and abundance of nitrogen-fixing plants. Grape quality parameters of known importance to wine making (yeast assimilable nitrogen, sugars, tartaric acid and malic acid) were determined by Fourier-transform infrared spectroscopy (FTIR). Using structural equation modelling, we evaluated hypotheses about the multivariate responses of grape quality parameters as well as the direct and indirect (plant-mediated) effects of management. Observed effects of management differed between grape varieties. Management intensity and abundance of N-fixing plants significantly influenced grape quality parameters while total richness of spontaneous plants did not have detectable effects. Abundance of N-fixing plants was enhanced by low-intensity management resulting in increased N content in the red grape variety Pinot noir , potentially enhancing grape quality, while measured soil N content did not explain the increase. Synthesis and applications . Our study shows that crop quality can be enhanced by spontaneous plants, in this case by the abundance of a key functional group (N-fixers), most likely through plant–plant or plant–microbe facilitation. However, beneficial interactions may have a high specificity in terms of facilitation partners and may have contrasting effects at low taxonomic resolutions such as crop varieties. Generally, increasing plant biodiversity in agricultural systems may increase competition with crops. Thus, the identification of suitable interaction partners and a careful balance between crop variety and spontaneous plant species may be necessary to utilize beneficial interactions and to reduce the trade-off between agricultural production and biodiversity to achieve a sustainable ecological benefit in agricultural systems.

Canton of Valais↗
USGS2025

Properties of solid bitumen formed during hydrous, anhydrous, and brine pyrolysis of oil shale: Implications for solid bitumen reflectance in source-rock reservoirs

Solid bitumen reflectance (BR o in %) is widely used as a thermal maturity proxy in source-rock reservoirs, yet solid bitumen texture and physical attributes may be affected by varying environmental constraints during its formation, e.g., water saturation, mineral catalysis, or salinity. Herein we investigated the development of solid bitumen properties during artificial maturation using three diverse (lacustrine to marine) oil shale samples containing abundant amorphous H-rich sedimentary organic matter (bituminite). The oil shales were treated via pyrolysis (320 °C, 72 h) using hydrous, anhydrous, and brine conditions, causing the development of a newly formed solid bitumen in the experiment residues from the thermal conversion of bituminite. The properties of the newly formed solid bitumen then were evaluated via geochemical screening tests, optical and electron microscopy, and infrared spectroscopy. Experimental residues also were treated via solvent extraction, allowing characterization of the effects of extraction on solid bitumen. Results showed that bituminite with higher resin and asphaltene components evolved to a solid bitumen with higher reflectance (as a percentage of the original value) when exposed to the same heat treatment, relative to bituminite with higher saturate and aromatic components. Aromatization of solid bitumen also was generally more pronounced in the presence of deionized water relative to anhydrous conditions, supporting prior observations. These results suggest the compositions of primary sedimentary organic matter, and the local concentration of water, affect the development of solid bitumen during thermal advance, potentially explaining the origin of multiple solid bitumen populations with varying reflectance in source-rock reservoir samples or in a single microscope field. Experiments using brine were inconclusive regarding enhanced/decreased aromatization, which could be attributed to the salinities of the brines used in the tests. Extraction of residues caused a consistent increase in BR o values, suggesting that migrating or expelled oils could cause an increase in BR o via natural solvation and absent an increase in temperature. This work provides insights into the development and evolution of BR o in source-rock reservoirs as a function of the composition of the original bituminite and changing environmental conditions, with potentially broad application for petroleum prospecting and resource estimation.

Colorado↗
USGS2025

Reaction kinetics and accelerant effects of sulfides in early mature hydrocarbon generation using hydrous pyrolysis

Hydrocarbon generation in organic-rich sediments is influenced by the molecular organic composition and relative abundance of associated minerals. Certain mineral-derived elements act as catalysts and reaction intermediaries, facilitating early-stage hydrocarbon formation in potential source rocks. This study investigated the role of sulfur contributed from pyrite as an accelerant in thermal reaction, focusing on its effects on early maturation and consequent hydrocarbon generation from gilsonite (low-sulfur solid petroleum). Hydrous pyrolysis (HP) experiments were conducted on mixtures of gilsonite and pyrite in varying ratios (1:0.1, 1:0.5, 1:1, 1:2, and 1:10 w/w gilsonite:pyrite) at 320, 350, and 370 °C for 72 h. Untreated and thermally altered residues were analyzed using solid bitumen reflectance (BR o , %), total organic carbon (TOC) content, programmed temperature pyrolysis, scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), and X-ray diffraction (XRD) to evaluate the potential accelerant role of pyritic sulfur in hydrocarbon formation. The results show HP residues at 320 and 350 °C with greater pyrite concentrations had higher BR o , while reflectance values were similar in the 370 °C residues, regardless of pyrite concentration, suggesting enhanced reaction at lower thermal conditions. Increasing pyrite content systematically decreased hydrogen index (HI) values while increasing the transformation ratio (TR) and production index (PI), indicating enhanced conversion of organic matter to hydrocarbons with increasing pyrite concentrations. Gas yields increased with pyrite addition, particularly at 350 °C, confirming secondary cracking effects. However, gas production stabilized or declined at higher pyrite loadings (1:10), suggesting alternative reaction pathways such as coke formation. Our data indicate the presence of pyrite lowers the activation energy for thermal cracking, shifting peak experimental hydrocarbon generation temperatures downward by 20–30 °C, with the most pronounced accelerant effects observed at moderate pyrite concentrations (1:0.5 and 1:1). The thermodynamic framework reveals that pyrite stability is influenced by experimental conditions, with pyrrhotite formation favored in the presence of gilsonite due to reduced oxygen fugacity. Pyrite transformation to pyrrhotite, as observed through XRD, SEM-EDS, and predicted by thermodynamic data, further supports the accelerant role of S, as pyrrhotite exhibits a higher hydrogen transfer potential, promoting early oil generation. These findings highlight the importance of pyrite in modulating hydrocarbon generation pathways in organic-rich systems.

Journal of Analytical and Applied Pyrolysis↗
USGS2007

Integrated geoscience studies in the Greater Yellowstone Area - Volcanic, tectonic, and hydrothermal processes in the Yellowstone geoecosystem

Yellowstone National Park, rimmed by a crescent of older mountainous terrain, has at its core the Quaternary Yellowstone Plateau, an undulating landscape shaped by forces of volcanism, tectonism, and later glaciation. Its spectacular hydrothermal systems cap this landscape. From 1997 through 2003, the United States Geological Survey Mineral Resources Program conducted a multidisciplinary project of Yellowstone National Park entitled Integrated Geoscience Studies of the Greater Yellowstone Area, building on a 130-year foundation of extensive field studies (including the Hayden survey of 1871, the Hague surveys of the 1880s through 1896, the studies of Iddings, Allen, and Day during the 1920s, and NASA-supported studies starting in the 1970s—now summarized in USGS Professional Paper 729 A through G) in this geologically dynamic terrain. The project applied a broad range of scientific disciplines and state-of-the-art technologies targeted to improve stewardship of the unique natural resources of Yellowstone and enable the National Park Service to effectively manage resources, protect park visitors from geologic hazards, and better educate the public on geologic processes and resources. This project combined a variety of data sets in characterizing the surficial and subsurface chemistry, mineralogy, geology, geophysics, and hydrothermal systems in various parts of the park. The sixteen chapters presented herein in USGS Professional Paper 1717, Integrated Geoscience Studies in the Greater Yellowstone Area—Volcanic, Tectonic, and Hydrothermal Processes in the Yellowstone Geoecosystem , can be divided into four major topical areas: (1) geologic studies, (2) Yellowstone Lake studies, (3) geochemical studies, and (4) geophysical studies. The geologic studies include a paper by Ken Pierce and others on the influence of the Yellowstone hotspot on landscape formation, the ecological effects of the hotspot, and the human experience and human geography of the greater Yellowstone ecosystem as influenced by the Yellowstone hotspot. Another paper by Paul Carrara describes the recent movement of a large landslide block dated by tree-ring analyses in the Tower Falls area. The section under Yellowstone Lake studies begins with a classic paper by J. David Love and others on ancestral Lake Yellowstone. Other papers in this section include results and interpretation of the high-resolution bathymetric, seismic reflection, and submersible studies by Lisa Morgan and others. Ken Pierce and others describe results from their studies of shorelines along Yellowstone Lake and their interpretation of inflation-deflation cycles, tilting, and faulting in the Yellowstone caldera. The influence of sublacustrine hydrothermal vent fluids on the geochemistry of Yellowstone Lake is described by Laurie Balistrieri and others. In Pat Shanks and others’ chapter, hydrothermal reactions, stable-isotope systematics, sinter deposition, and spire formation are related to the geochemistry of sublacustrine hydrothermal deposits in Yellowstone Lake. The geochemical studies section considers park-wide geochemical systems in Yellowstone National Park. In Bob Rye and Alfred Truesdell’s paper, the question of recharge to the deep thermal reservoir underlying the geysers and hot springs of Yellowstone National Park is discussed. Irving Friedman and Dan Norton report on the chloride flux emissions from Yellowstone in their paper questioning whether Yellowstone is losing its steam. Wildlife issues as addressed by examining trace-element and stable-isotope geochemistry are discussed in a chapter by Maurice Chaffee and others. In another chapter by Chaffee and others, natural and anthropogenic anomalies and their potential impact on the environment using geochemistry is reported. Pam Gemery-Hill and others present geochemical data for selected rivers, lake waters, hydrothermal vents, and subaerial geysers for the time interval of 1996–2004. The life cycle of gold deposits near the northeast corner of the park is discussed by Brad Van Gosen. Under the geophysical studies segment, Ray Kokaly and others use AVIRIS (Airborne Visible and Infrared Spectroscopy) data to map vegetation cover and microbial communities in Yellowstone National Park. Eric Livo and others report their results using AVIRIS data on hydrothermally altered rock and hot-spring deposits. In his final paper following a half century of scientific research, Irving Friedman presents data on monitoring changes in geothermal activity at Norris Geyser Basin using satellite telemetry. These papers summarize a near-decade-long effort by the USGS from the late 1990s to mid-2000s. In 2001, the USGS in cooperation with the National Park Service (Yellowstone National Park) and the University of Utah established the Yellowstone Volcano Observatory, the 5th volcano observatory in the United States.

Professional Paper↗
USGS2004

Geological and anthropogenic factors influencing mercury speciation in mine wastes: An EXAFS spectroscopy study

The speciation of Hg is a critical determinant of its mobility, reactivity, and potential bioavailability in mine-impacted regions. Furthermore, Hg speciation in these complex natural systems is influenced by a number of physical, geological, and anthropogenic variables. In order to investigate the degree to which several of these variables may affect Hg speciation, extended X-ray absorption fine structure (EXAFS) spectroscopy was used to determine the Hg phases and relative proportions of these phases present in Hg-bearing wastes from selected mine-impacted regions in California and Nevada. The geological origin of Hg ore has a significant effect on Hg speciation in mine wastes. Specifically, samples collected from hot-spring Hg deposits were found to contain soluble Hg-chloride phases, while such phases were largely absent in samples from silica-carbonate Hg deposits; in both deposit types, however, Hg-sulfides in the form of cinnabar (HgS, hex.) and metacinnabar (HgS, cub.) dominate. Calcined wastes in which Hg ore was crushed and roasted in excess of 600??C, contain high proportions of metacinnabar while the main Hg-containing phase in unroasted waste rock samples from the same mines is cinnabar. The calcining process is thought to promote the reconstructive phase transformation of cinnabar to metacinnabar, which typically occurs at 345??C. The total Hg concentration in calcines is strongly correlated with particle size, with increases of nearly an order of magnitude in total Hg concentration between the 500-2000 ??m and <45 ??m size fractions (e.g., from 97-810 mg/kg Hg in calcines from the Sulphur Bank Mine, CA). The proportion of Hg-sulfides present also increased by 8-18% as particle size decreased over the same size range. This finding suggests that insoluble yet soft Hg-sulfides are subject to preferential mechanical weathering and become enriched in the fine-grained fraction, while soluble Hg phases are leached out more readily as particle size decreases. The speciation of Hg in mine wastes is similar to that in distributed sediments located downstream from the same waste piles, indicating that the transport of Hg from mine waste piles does not significantly impact Hg speciation. Hg LIII-EXAFS analysis of samples from Au mining regions, where elemental Hg(0) was introduced to aid in the Au recovery process, identified the presence of Hg-sulfides and schuetteite (Hg3O2SO4), which may have formed as a result of long-term Hg(0) burial in reducing high-sulfide sediments. ?? 2003 Elsevier Ltd. All rights reserved.

Applied Geochemistry↗
USGS2009

The potential of mid- and near-infrared diffuse reflectance spectroscopy for determining major- and trace-element concentrations in soils from a geochemical survey of North America

In 2004, soils were collected at 220 sites along two transects across the USA and Canada as a pilot study for a planned soil geochemical survey of North America (North American Soil Geochemical Landscapes Project). The objective of the current study was to examine the potential of diffuse reflectance (DR) Fourier Transform (FT) mid-infrared (mid-IR) and near-infrared (NIRS) spectroscopy to reduce the need for conventional analysis for the determination of major and trace elements in such continental-scale surveys. Soil samples (n = 720) were collected from two transects (east-west across the USA, and north-south from Manitoba, Canada to El Paso, Texas (USA), n = 453 and 267, respectively). The samples came from 19 USA states and the province of Manitoba in Canada. They represented 31 types of land use (e.g., national forest, rangeland, etc.), and 123 different land covers (e.g., soybeans, oak forest, etc.). The samples represented a combination of depth-based sampling (0-5 cm) and horizon-based sampling (O, A and C horizons) with 123 different depths identified. The set was very diverse with few samples similar in land use, land cover, etc. All samples were analyzed by conventional means for the near-total concentration of 49 analytes (C total , C carbonate and C organic , and 46 major and trace elements). Spectra were obtained using dried, ground samples using a Digilab FTS-7000 FT spectrometer in the mid- (4000-400 cm -1 ) and near-infrared (10,000-4000 cm -1 ) at 4 cm -1 resolution (64 co-added scans per spectrum) using a Pike AutoDIFF DR autosampler. Partial least squares calibrations were develop using: (1) all samples as a calibration set; (2) samples evenly divided into calibration and validation sets based on spectral diversity; and (3) samples divided to have matching analyte concentrations in calibration and validation sets. In general, results supported the conclusion that neither mid-IR nor NIRS would be particularly useful in reducing the need for conventional analysis of soils from this continental-scale geochemical survey. The extreme sample diversity, likely caused by the widely varied parent material, land use at the site of collection (e.g., grazing, recreation, agriculture, etc.), and climate resulted in poor calibrations even for C total , C organic and C carbonate . The results indicated potential for mid-IR and NIRS to differentiate soils containing high concentrations (>100 mg/kg) of some metals (e.g., Co, Cr, Ni) from low-level samples (<50 mg/kg). However, because of the small number of high-level samples, it is possible that differentiation was based on factors other than metal concentration. Results for Mg and Sr were good, but results for other metals examined were fair to poor, at best. In essence, it appears that the great variation in chemical and physical properties seen in soils from this continental-scale survey resulted in each sample being virtually unique. Thus, suitable spectroscopic calibrations were generally not possible.

Applied Geochemistry↗